CID 455200

Cis-9(3ch2-2ch2oh-cbu)a

Structural Information

Molecular Formula
C11H13N5O
SMILES
C=C1C[C@H]([C@@H]1CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H13N5O/c1-6-2-8(7(6)3-17)16-5-15-9-10(12)13-4-14-11(9)16/h4-5,7-8,17H,1-3H2,(H2,12,13,14)/t7-,8-/m1/s1
InChIKey
YBRJPXRKGQUYHW-HTQZYQBOSA-N
Compound name
[(1R,2R)-2-(6-aminopurin-9-yl)-4-methylidenecyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

231.11201 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11929 153.9
[M+Na]+ 254.10123 163.4
[M-H]- 230.10473 155.3
[M+NH4]+ 249.14583 162.2
[M+K]+ 270.07517 161.3
[M+H-H2O]+ 214.10927 139.8
[M+HCOO]- 276.11021 171.8
[M+CH3COO]- 290.12586 164.7
[M+Na-2H]- 252.08668 157.4
[M]+ 231.11146 161.9
[M]- 231.11256 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.